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(S)-2-[(Phenylamino)carbonyloxy]propionic acid

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Name

(S)-2-[(Phenylamino)carbonyloxy]propionic acid

EINECS N/A
CAS No. 102936-05-0 Density 1.3±0.1 g/cm3
PSA 75.63000 LogP 1.78120
Solubility N/A Melting Point 150 °C (dec.)(lit.)
Formula C10H11NO4 Boiling Point 324.7±25.0 °C at 760 mmHg
Molecular Weight 209.20 Flash Point 150.2±23.2 °C
Transport Information N/A Appearance white to off-white crystalline powder
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 102936-05-0 ((S)-(-)-2-(PHENYLCARBAMOYLOXY)PROPIONIC ACID) Hazard Symbols IrritantXi
Synonyms

Propanoicacid, 2-[[(phenylamino)carbonyl]oxy]-, (S)-;

Article Data 2

(S)-2-[(Phenylamino)carbonyloxy]propionic acid Specification

The (S)-2-[(Phenylamino)carbonyloxy]propionic acid, with the CAS registry number 102936-05-0, is also known as Propanoicacid, 2-[[(phenylamino)carbonyl]oxy]-, (S)-. This chemical's molecular formula is C10H11NO4 and molecular weight is 209.20. What's more, its systematic name is (2S)-2-[(Phenylcarbamoyl)oxy]propanoic acid.

Physical properties of (S)-2-[(Phenylamino)carbonyloxy]propionic acid are: (1)ACD/LogP: 1.75±0.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.06; (4)ACD/LogD (pH 7.4): -1.96; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 75.63 Å2; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 53.1±0.3 cm3; (15)Molar Volume: 156.9±3.0 cm3; (16)Polarizability: 21.0±0.5×10-24cm3; (17)Surface Tension: 56.1±3.0 dyne/cm; (18)Density: 1.3±0.1 g/cm3; (19)Flash Point: 150.2±23.2 °C; (20)Enthalpy of Vaporization: 59.8±3.0 kJ/mol; (21)Boiling Point: 324.7±25.0 °C at 760 mmHg; (22)Vapour Pressure: 0.0±0.7 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: C[C@@H](C(=O)O)OC(=O)NC1=CC=CC=C1
(2)Std. InChI: InChI=1S/C10H11NO4/c1-7(9(12)13)15-10(14)11-8-5-3-2-4-6-8/h2-7H,1H3,(H,11,14)(H,12,13)/t7-/m0/s1
(3)Std. InChIKey: HYIHYWQSOXTJFS-ZETCQYMHSA-N

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